2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide

C13H19ClN2O2 — CID 82986726

IUPAC2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc(Cl)ccc1O
InChIInChI=1S/C13H19ClN2O2/c1-3-15-13(18)9-16(4-2)8-10-7-11(14)5-6-12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyJACDNNXRUJZAAL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.00
Rot. Bonds6

About 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide

2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 82986726) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID82986726
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc(Cl)ccc1O
InChIInChI=1S/C13H19ClN2O2/c1-3-15-13(18)9-16(4-2)8-10-7-11(14)5-6-12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyJACDNNXRUJZAAL-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 62029540
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
2-[[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433109
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide (CID 82986726) is 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1cc(Cl)ccc1O.
What is the InChIKey of 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is JACDNNXRUJZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-15-13(18)9-16(4-2)8-10-7-11(14)5-6-12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide?
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 82986726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).